1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one

C16H22N4O — CID 121288989

IUPAC1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one
SMILESCCCCCNc1nc(C)ncc1Cn1ccccc1=O
InChIInChI=1S/C16H22N4O/c1-3-4-6-9-17-16-14(11-18-13(2)19-16)12-20-10-7-5-8-15(20)21/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,17,18,19)
InChIKeySDAOLSXXAIVCKH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.60
Rot. Bonds7

About 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one

1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one (PubChem CID 121288989) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one
PubChem CID121288989
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one
SMILESCCCCCNc1nc(C)ncc1Cn1ccccc1=O
InChIInChI=1S/C16H22N4O/c1-3-4-6-9-17-16-14(11-18-13(2)19-16)12-20-10-7-5-8-15(20)21/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,17,18,19)
InChIKeySDAOLSXXAIVCKH-UHFFFAOYSA-N
XLogP2.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(butylamino)-2-methylpyrimidin-5-yl]methyl]-4-methylpyridin-2-one
CID 121288788
1-[[2-amino-4-(butylamino)pyrimidin-5-yl]methyl]-3-fluoropyridin-2-one
CID 121288798
N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 118332675
4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
CID 18737835
2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137314025
2-methyl-5-propyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-4-amine
CID 56917474
N-methyl-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50970084
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 135115289
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
1-hexyl-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111079758
ethyl 2-[2-[(2-oxo-1-pyridinyl)methyl]pyrimidin-5-yl]acetate
CID 177191307
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one (CID 121288989) is 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one is CCCCCNc1nc(C)ncc1Cn1ccccc1=O.
What is the InChIKey of 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one?
The InChIKey is SDAOLSXXAIVCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-4-6-9-17-16-14(11-18-13(2)19-16)12-20-10-7-5-8-15(20)21/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one?
1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one is sourced from PubChem (CID 121288989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).